N-(5-nitro-1,3-thiazol-2-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(5-nitrothiazol-2-yl)-4-propyl-benzenesulfonamide CAS Name: N-(5-nitro-2-thiazolyl)-4-propylbenzenesulfonamide IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-4-propylbenzenesulfonamide Traditional Name: N-(5-nitrothiazol-2-yl)-4-propyl-benzenesulfonamide Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S2/c1-2-3-9-4-6-10(7-5-9)21(18,19)14-12-13-8-11(20-12)15(16)17/h4-8H,2-3H2,1H3,(H,13,14)